Gromacs  2020.4
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gmx::test::anonymous_namespace{simulatorcomparison.cpp} Namespace Reference

Functions

template<bool doEnvironmentVariable, bool doRerun>
void executeSimulatorComparisonTestImpl (TestFileManager *fileManager, SimulationRunner *runner, const std::string &simulationName, int maxWarningsTolerated, const MdpFieldValues &mdpFieldValues, const EnergyTermsToCompare &energyTermsToCompare, const TrajectoryComparison &trajectoryComparison, const std::string &environmentVariable)
 Run grompp and mdrun for both sets of mdp field values.